[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H17N3O4/c1-12(20)18-5-7-19(8-6-18)15(21)11-23-16(22)14-4-2-3-13(9-14)10-17/h2-4,9H,5-8,11H2,1H3